(Z)-3-[3-iodanyl-1-(phenylsulfonyl)indol-5-yl]but-2-enoic acid

Systemtic Name: (Z)-3-[3-iodanyl-1-(phenylsulfonyl)indol-5-yl]but-2-enoic acid Openeye Name: (Z)-3-[1-(benzenesulfonyl)-3-iodo-indol-5-yl]but-2-enoic acid CAS Name: (Z)-3-[1-(benzenesulfonyl)-3-iodo-5-indolyl]-2-butenoic acid IUPAC Name: (Z)-3-[1-(benzenesulfonyl)-3-iodoindol-5-yl]but-2-enoic acid Traditional Name: (Z)-3-(1-besyl-3-iodo-indol-5-yl)but-2-enoic acid Formula: C18H14INO4S MolecularWeight: 467.27753

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(C=C1)N(C=C2I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC2=C(C=C1)N(C=C2I)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14INO4S/c1-12(9-18(21)22)13-7-8-17-15(10-13)16(19)11-20(17)25(23,24)14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)/b12-9-